1-(2-bromo-3-chlorophenyl)-3-ethylthiourea

C9H10BrClN2S — CID 103478742

IUPAC1-(2-bromo-3-chlorophenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H10BrClN2S/c1-2-12-9(14)13-7-5-3-4-6(11)8(7)10/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyZCVSVTJHBCSWGS-UHFFFAOYSA-N
MW293.62 g/mol
LogP3.41
Rot. Bonds2

About 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea

1-(2-bromo-3-chlorophenyl)-3-ethylthiourea (PubChem CID 103478742) has the molecular formula C9H10BrClN2S and a molecular weight of 293.62 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-3-ethylthiourea
PubChem CID103478742
Molecular FormulaC9H10BrClN2S
Molecular Weight293.62 g/mol
Exact Mass291.94
IUPAC Name1-(2-bromo-3-chlorophenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H10BrClN2S/c1-2-12-9(14)13-7-5-3-4-6(11)8(7)10/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyZCVSVTJHBCSWGS-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3-chlorophenyl)-3-butylthiourea
CID 103478734
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
1-ethyl-3-(2-propan-2-ylphenyl)thiourea
CID 8626597
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-(3-chlorophenyl)-3-ethylthiourea
CID 872568
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
CID 103480815
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-ethylthiourea
CID 6902686
1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
CID 103481487

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea (CID 103478742) is 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea is CCNC(=S)Nc1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea?
The InChIKey is ZCVSVTJHBCSWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2S/c1-2-12-9(14)13-7-5-3-4-6(11)8(7)10/h3-5H,2H2,1H3,(H2,12,13,14).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea?
1-(2-bromo-3-chlorophenyl)-3-ethylthiourea has a molecular weight of 293.62 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-3-ethylthiourea is sourced from PubChem (CID 103478742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).